N-benzyl-4-ethoxyaniline

C15H17NO — CID 770112

IUPACN-benzyl-4-ethoxyaniline
SMILESCCOc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C15H17NO/c1-2-17-15-10-8-14(9-11-15)16-12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3
InChIKeyZAUVBVZMMZMKSQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.70
Rot. Bonds5

About N-benzyl-4-ethoxyaniline

N-benzyl-4-ethoxyaniline (PubChem CID 770112) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-benzyl-4-ethoxyaniline.

Molecular Properties

Compound NameN-benzyl-4-ethoxyaniline
PubChem CID770112
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-benzyl-4-ethoxyaniline
SMILESCCOc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C15H17NO/c1-2-17-15-10-8-14(9-11-15)16-12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3
InChIKeyZAUVBVZMMZMKSQ-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

CID 3293
CID 3293
CID 7571
CID 7571
CID 11501341
CID 11501341
CID 7574
CID 7574
CID 269722
CID 269722
CID 22860
CID 22860
CID 162461
CID 162461
CID 22690393
CID 22690393
CID 151352
CID 151352
CID 519413
CID 519413
CID 3849761
CID 3849761
CID 53257383
CID 53257383

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-ethoxyaniline?
The IUPAC name of N-benzyl-4-ethoxyaniline (CID 770112) is N-benzyl-4-ethoxyaniline.
What is the SMILES notation for N-benzyl-4-ethoxyaniline?
The canonical SMILES for N-benzyl-4-ethoxyaniline is CCOc1ccc(NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-ethoxyaniline?
The InChIKey is ZAUVBVZMMZMKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-17-15-10-8-14(9-11-15)16-12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3.
What are the key properties of N-benzyl-4-ethoxyaniline?
N-benzyl-4-ethoxyaniline has a molecular weight of 227.31 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-ethoxyaniline is sourced from PubChem (CID 770112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).